data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Mesto E' 'Schingaro E' 'Scordari F' 'Ottolini L' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 182 _journal_page_last 190 _publ_section_title ; An electron microprobe analysis, secondary ion mass spectrometry and single crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy: Consideration of cation partioning Sample: LC7-1R Note: mica ; _database_code_amcsd 0004002 _chemical_compound_source 'Mt. Vulture, Potenza, Italy' _chemical_formula_sum 'K.78 Na.12 Ba.05 Mg1.65 Fe.88 Li.02 Ti.31 Si2.56 Al1.38 O11.14 F.83 Cl.02 H1.1' _cell_length_a 5.310 _cell_length_b 9.193 _cell_length_c 10.096 _cell_angle_alpha 90 _cell_angle_beta 100.00 _cell_angle_gamma 90 _cell_volume 485.347 _exptl_crystal_density_diffrn 3.074 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv K 0.00000 0.00000 0.00000 0.78000 0.02800 Na 0.00000 0.00000 0.00000 0.12000 0.02800 Ba 0.00000 0.00000 0.00000 0.05000 0.02800 MgM1 0.00000 0.50000 0.50000 0.75000 0.01000 Fe3+M1 0.00000 0.50000 0.50000 0.17000 0.01000 Fe2+M1 0.00000 0.50000 0.50000 0.06000 0.01000 LiM1 0.00000 0.50000 0.50000 0.02000 0.01000 MgM2 0.00000 0.84310 0.50000 0.45000 0.01000 Fe2+M2 0.00000 0.84310 0.50000 0.21000 0.01000 Fe3+M2 0.00000 0.84310 0.50000 0.11500 0.01000 Ti4+M2 0.00000 0.84310 0.50000 0.10000 0.01000 Ti3+M2 0.00000 0.84310 0.50000 0.02500 0.01000 SiT 0.57350 0.16740 0.22300 0.64000 0.01300 AlT 0.57350 0.16740 0.22300 0.34500 0.01300 Ti4+T 0.57350 0.16740 0.22300 0.01500 0.01300 O1 0.82400 0.22920 0.16430 1.00000 0.02400 O2 0.51500 0.00000 0.16660 1.00000 0.02200 O3 0.62850 0.16880 0.39010 1.00000 0.01400 O-H4 0.13500 0.00000 0.40070 0.55000 0.01000 F4 0.13500 0.00000 0.40070 0.41500 0.01000 O4 0.13500 0.00000 0.40070 0.02000 0.01000 Cl4 0.13500 0.00000 0.40070 0.01000 0.01000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 K 0.02700 0.02400 0.03200 0.00000 0.00400 0.00000 Na 0.02700 0.02400 0.03200 0.00000 0.00400 0.00000 Ba 0.02700 0.02400 0.03200 0.00000 0.00400 0.00000 MgM1 0.01100 0.00600 0.01900 0.00000 0.00500 0.00000 Fe3+M1 0.01100 0.00600 0.01900 0.00000 0.00500 0.00000 Fe2+M1 0.01100 0.00600 0.01900 0.00000 0.00500 0.00000 LiM1 0.01100 0.00600 0.01900 0.00000 0.00500 0.00000 MgM2 0.00800 0.01200 0.01200 0.00000 -0.00010 0.00000 Fe2+M2 0.00800 0.01200 0.01200 0.00000 -0.00010 0.00000 Fe3+M2 0.00800 0.01200 0.01200 0.00000 -0.00010 0.00000 Ti4+M2 0.00800 0.01200 0.01200 0.00000 -0.00010 0.00000 Ti3+M2 0.00800 0.01200 0.01200 0.00000 -0.00010 0.00000 SiT 0.01200 0.01100 0.01500 0.00000 0.00270 -0.00100 AlT 0.01200 0.01100 0.01500 0.00000 0.00270 -0.00100 Ti4+T 0.01200 0.01100 0.01500 0.00000 0.00270 -0.00100 O1 0.02400 0.02300 0.02500 -0.00300 0.00400 -0.00300 O2 0.02500 0.01800 0.02300 0.00000 -0.00100 0.00000 O3 0.01200 0.01100 0.01900 -0.00100 0.00200 -0.00100 O-H4 0.01400 0.01600 0.00500 0.00000 0.00100 0.00000 F4 0.01400 0.01600 0.00500 0.00000 0.00100 0.00000 O4 0.01400 0.01600 0.00500 0.00000 0.00100 0.00000 Cl4 0.01400 0.01600 0.00500 0.00000 0.00100 0.00000